2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide

C12H14FN3O3S — CID 79225534

IUPAC2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C12H14FN3O3S/c1-7-9(8(2)19-16-7)6-15-20(17,18)12-10(13)4-3-5-11(12)14/h3-5,15H,6,14H2,1-2H3
InChIKeyFZABDPJLNOAYQI-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.49
Rot. Bonds4

About 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide

2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide (PubChem CID 79225534) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide
PubChem CID79225534
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C12H14FN3O3S/c1-7-9(8(2)19-16-7)6-15-20(17,18)12-10(13)4-3-5-11(12)14/h3-5,15H,6,14H2,1-2H3
InChIKeyFZABDPJLNOAYQI-UHFFFAOYSA-N
XLogP1.49
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-difluorobenzenesulfonamide
CID 79223521
2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 114185734
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylbenzenesulfonamide
CID 79238145
3-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 79884887
N-[(3-chloro-2,6-difluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3829002
2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
CID 115405345
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 79236204
2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol
CID 112607038
3-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 79238081
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110731013
2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 80711931
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide
CID 79238403

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide (CID 79225534) is 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide is Cc1noc(C)c1CNS(=O)(=O)c1c(N)cccc1F.
What is the InChIKey of 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide?
The InChIKey is FZABDPJLNOAYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-7-9(8(2)19-16-7)6-15-20(17,18)12-10(13)4-3-5-11(12)14/h3-5,15H,6,14H2,1-2H3.
What are the key properties of 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide?
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide is sourced from PubChem (CID 79225534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).